N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine

C13H28N2S — CID 114628548

IUPACN-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
SMILESCCCCC(C)NCCSC1CCNCC1
InChIInChI=1S/C13H28N2S/c1-3-4-5-12(2)15-10-11-16-13-6-8-14-9-7-13/h12-15H,3-11H2,1-2H3
InChIKeyJKOKFJFAVGAZND-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.64
Rot. Bonds8

About N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine

N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine (PubChem CID 114628548) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine.

Molecular Properties

Compound NameN-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
PubChem CID114628548
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
SMILESCCCCC(C)NCCSC1CCNCC1
InChIInChI=1S/C13H28N2S/c1-3-4-5-12(2)15-10-11-16-13-6-8-14-9-7-13/h12-15H,3-11H2,1-2H3
InChIKeyJKOKFJFAVGAZND-UHFFFAOYSA-N
XLogP2.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentylsulfanylethyl)pentan-2-amine
CID 63115660
2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
CID 114628792
1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628856
N-(pyrrolidin-3-ylmethyl)hexan-2-amine
CID 63006351
1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628852
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628409
N-(4-methylsulfanylbutyl)hexan-2-amine
CID 115721503
2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628750
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
CID 114628486
N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
CID 79257480

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine?
The IUPAC name of N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine (CID 114628548) is N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine.
What is the SMILES notation for N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine?
The canonical SMILES for N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine is CCCCC(C)NCCSC1CCNCC1.
What is the InChIKey of N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine?
The InChIKey is JKOKFJFAVGAZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-3-4-5-12(2)15-10-11-16-13-6-8-14-9-7-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine?
N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine has a molecular weight of 244.45 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine is sourced from PubChem (CID 114628548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).